SCHEMBL1970592

CCCCN(C(=O)c1ccccn1)c1nnc(-c2cc(C)c(OC)c(C)c2)s1.CCCCN(C(=O)c1cccnc1)c1nnc(-c2cc(C)c(OC)c(C)c2)s1.CCCCc1ccc(F)nc1C(=O)Nc1nnc(-c2cc(C)c(OC)c(C)c2)s1.CCCCc1cccc(C(=O)Nc2nnc(-c3cc(C)c(OC)c(C)c3)s2)c1C

nearest known ligand 0.44

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	S1PR1	P21453	16/20	0.44

▸	HSD17B10	Q99714	3/20	0.37

▸	MAPT	P10636	1/20	0.37

▸	L3MBTL1	Q9Y468	1/20	0.35

▸	KDM4E	B2RXH2	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	HPGD	P15428	1/20	0.35

▸	UBE2N	P61088	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL3628027	0.82	S1PR1 (0.61)	S1PR1HSD17B10MAPTKDM4EALDH1A1
SCHEMBL1965848	0.77	S1PR1 (0.52)	S1PR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL1966885	0.76	S1PR1 (0.69)	S1PR1HSD17B10MAPTL3MBTL1KDM4E
SCHEMBL1969999	0.75	HSD17B10 (0.56)	S1PR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL1966359	0.72	KDM4E (0.55)	S1PR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL1964962	0.69	S1PR1 (0.64)	S1PR1HSD17B10MAPTKDM4EALDH1A1
SCHEMBL1966747	0.69	S1PR1 (0.69)	S1PR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL1966270	0.68	S1PR1 (0.76)	S1PR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL1966944	0.67	S1PR1 (0.60)	S1PR1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL1966161	0.67	S1PR1 (0.68)	S1PR1HSD17B10KDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2334670-A1	NEW 2-AMIDOTHIADIAZOLE DERIVATIVES	Almirall S.A. (ES)	2011-06-22	—	—	EP	disclosed